Accord 08271317182D 118123 0 0 0 0 0 0 0 0999 V2000 22.0845 7.3077 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.3346 7.7395 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.5846 7.3077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5179 6.5579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.6510 6.5579 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.8346 7.7407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8654 6.1147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8654 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1157 6.5479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7429 8.4464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9167 8.4630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3603 6.1147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6044 6.5479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8487 6.1147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0928 6.5479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3371 6.1147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5812 6.5479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8255 6.1147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0696 6.5479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3139 6.1147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5580 6.5479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8022 6.1147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0464 6.5479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2906 6.1147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5348 6.5479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7790 6.1147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0232 6.5479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2674 6.1147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5116 6.5479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7557 6.1147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.5479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8285 7.7394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0727 7.3077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3168 7.7394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5610 7.3077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8052 7.7394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0494 7.3077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2936 7.7394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5378 7.3077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7820 7.7394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0262 7.3077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2704 7.7394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5145 7.3077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7588 7.7394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0029 7.3077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8400 10.0545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1539 9.7906 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.1897 10.0663 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2196 9.8122 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.7181 10.6807 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.6823 10.4052 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2339 10.6641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3079 9.6315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4891 10.0080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1790 10.3695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6525 10.6592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7569 11.0153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4930 10.1056 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.5287 10.3813 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5586 10.1271 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.0571 10.9956 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.0214 10.7201 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5730 10.9791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6470 9.9464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8281 10.3229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0459 11.5605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9916 10.9742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0960 11.3302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3598 11.2967 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3956 11.5724 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4254 11.3182 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9240 12.1867 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.8882 11.9112 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4398 12.1701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5138 11.1375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6949 11.5140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9127 12.6144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8584 12.1652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9628 12.5213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3780 10.9259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7131 10.6858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9413 10.9259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8254 9.4258 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8551 9.1722 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1494 8.4596 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2757 8.9519 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2459 9.2056 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7282 9.2002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1782 8.8581 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.4210 8.2562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9701 8.4096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9517 9.9182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9995 9.7687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1692 8.6069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5796 8.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7932 8.3845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2840 8.1457 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5944 8.8738 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6300 9.1489 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6405 10.1517 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3301 9.4237 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0760 9.8749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4748 8.4394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1009 9.6893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9183 10.6437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2946 9.1486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7050 9.9109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2565 9.7949 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2923 10.0706 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3221 9.8164 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8207 10.6849 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7849 10.4094 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3365 10.6683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4105 9.6357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5916 10.0122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8094 11.2498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7551 10.6635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8595 11.0195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 1 5 1 6 0 0 0 1 4 1 1 0 0 0 6 1 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 7 5 1 0 0 0 0 2 10 1 1 0 0 0 2 11 1 6 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 3 32 2 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 6 46 1 0 0 0 0 47 48 1 1 0 0 0 49 48 1 1 0 0 0 50 49 1 1 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 51 56 1 0 0 0 0 47 56 1 0 0 0 0 48 53 1 0 0 0 0 49 54 1 0 0 0 0 50 55 1 0 0 0 0 52 57 1 0 0 0 0 46 47 1 0 0 0 0 58 59 1 1 0 0 0 60 59 1 1 0 0 0 61 60 1 1 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 62 67 1 0 0 0 0 58 67 1 0 0 0 0 59 64 1 0 0 0 0 60 65 1 0 0 0 0 61 66 1 0 0 0 0 63 68 1 0 0 0 0 55 58 1 0 0 0 0 69 70 1 1 0 0 0 71 70 1 1 0 0 0 72 71 1 1 0 0 0 72 73 1 0 0 0 0 73 74 1 0 0 0 0 73 78 1 0 0 0 0 69 78 1 0 0 0 0 70 75 1 0 0 0 0 71 76 1 0 0 0 0 72 77 1 0 0 0 0 74 79 1 0 0 0 0 75 80 1 0 0 0 0 80 81 1 0 0 0 0 80 82 2 0 0 0 0 66 69 1 0 0 0 0 83 84 1 1 0 0 0 85 84 1 1 0 0 0 86 85 1 1 0 0 0 86 87 1 0 0 0 0 87 88 1 0 0 0 0 87 92 1 0 0 0 0 83 92 1 0 0 0 0 84 89 1 0 0 0 0 85 90 1 0 0 0 0 86 91 1 0 0 0 0 88 93 1 0 0 0 0 89 94 1 0 0 0 0 94 95 1 0 0 0 0 94 96 2 0 0 0 0 65 83 1 0 0 0 0 97 98 1 1 0 0 0 99 98 1 1 0 0 0 100 99 1 1 0 0 0 100101 1 0 0 0 0 101102 1 0 0 0 0 101106 1 0 0 0 0 97106 1 0 0 0 0 98103 1 0 0 0 0 99104 1 0 0 0 0 100105 1 0 0 0 0 102107 1 0 0 0 0 91 97 1 0 0 0 0 108109 1 1 0 0 0 110109 1 1 0 0 0 111110 1 1 0 0 0 111112 1 0 0 0 0 112113 1 0 0 0 0 112117 1 0 0 0 0 108117 1 0 0 0 0 109114 1 0 0 0 0 110115 1 0 0 0 0 111116 1 0 0 0 0 113118 1 0 0 0 0 104108 1 0 0 0 0 M END > LMSP0503AP04 > > GalNAcbeta1-4(Galalpha1-3Galbeta1-4GlcNAcbeta1-3)Galbeta1-4Glcbeta-Cer(d18:1/22:0) > C80H145N3O33 > 1675.98 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > GalNAcbeta1-4Galbeta1-4Glc- (Ganglio series) [SP0503] > - > > - > - > - > - > - > - > - > - > - > 44260607 > - > - > Active (generated by computational methods) > - $$$$